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	hartrees
Energy at 0K	-228.988917
Energy at 298.15K	-228.993772
Nuclear repulsion energy	122.148519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3069	10.31
2	A'	3085	2962	37.11
3	A'	3075	2952	37.06
4	A'	1819	1746	339.46
5	A'	1497	1437	11.93
6	A'	1468	1410	5.75
7	A'	1397	1341	1.08
8	A'	1252	1202	265.32
9	A'	1188	1141	47.89
10	A'	955	917	25.86
11	A'	776	745	8.20
12	A'	295	283	15.15
13	A"	3161	3035	15.45
14	A"	1487	1427	10.80
15	A"	1174	1127	0.96
16	A"	1036	994	0.00
17	A"	352	337	29.76
18	A"	119	114	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	1.362	0.416	0.000
O2	0.000	0.870	0.000
C3	-0.931	-0.091	0.000
O4	-0.719	-1.279	0.000
H5	1.971	1.319	0.000
H6	1.563	-0.185	0.890
H7	1.563	-0.185	-0.890
H8	-1.929	0.371	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4358	2.3485	2.6840	1.0893	1.0926	1.0926	3.2915
O2	1.4358		1.3377	2.2659	2.0219	2.0850	2.0850	1.9926
C3	2.3485	1.3377		1.2071	3.2266	2.6498	2.6498	1.0996
O4	2.6840	2.2659	1.2071		3.7399	2.6828	2.6828	2.0461
H5	1.0893	2.0219	3.2266	3.7399		1.7946	1.7946	4.0140
H6	1.0926	2.0850	2.6498	2.6828	1.7946		1.7809	3.6463
H7	1.0926	2.0850	2.6498	2.6828	1.7946	1.7809		3.6463
H8	3.2915	1.9926	1.0996	2.0461	4.0140	3.6463	3.6463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	115.683	O2	C1	H5	105.578
O2	C1	H6	110.367	O2	C1	H7	110.367
O2	C3	O4	125.768	O2	C3	H8	109.289
O4	C3	H8	124.943	H5	C1	H6	110.664
H5	C1	H7	110.664	H6	C1	H7	109.167

All results from a given calculation for CH₃OCHO (methyl formate)

using model chemistry: B3PW91/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.277
2	O	-0.247
3	C	0.287
4	O	-0.438
5	H	0.173
6	H	0.181
7	H	0.181
8	H	0.140

	x	y	z	Total
	1.028	1.698	0.000	1.985
CHELPG
AIM
ESP

<r²>	71.530
(<r²>)^1/2	8.458

All results from a given calculation for CH3OCHO (methyl formate)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for CH₃OCHO (methyl formate)